N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

C136H168N34O19S4 — CID 157086200

About N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (PubChem CID 157086200) has the molecular formula C136H168N34O19S4 and a molecular weight of 2711.33 g/mol. Its IUPAC name is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• PubChem CID: 157086200
• Molecular Formula: C136H168N34O19S4
• Molecular Weight: 2711.33 g/mol
• Exact Mass: 2709.21
• IUPAC Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• SMILES: CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CC(C)=O)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)CCN2
• InChI: InChI=1S/C29H37N7O4S.C28H35N7O4S.C27H33N7O4S.C26H33N7O4S.C26H30N6O3/c1-39-25-19-21(36-15-17-40-18-16-36)11-12-23(25)32-29-33-27-22(13-14-30-27)28(34-29)31-24-9-5-6-10-26(24)41(37,38)35-20-7-3-2-4-8-20;1-38-24-18-20(35-14-16-39-17-15-35)10-11-22(24)31-28-32-26-21(12-13-29-26)27(33-28)30-23-8-4-5-9-25(23)40(36,37)34-19-6-2-3-7-19;1-37-23-17-19(34-13-15-38-16-14-34)9-10-21(23)30-27-31-25-20(11-12-28-25)26(32-27)29-22-7-2-3-8-24(22)39(35,36)33-18-5-4-6-18;1-3-11-28-38(34,35)23-7-5-4-6-21(23)29-25-19-10-12-27-24(19)31-26(32-25)30-20-9-8-18(17-22(20)36-2)33-13-15-37-16-14-33;1-17(33)15-18-5-3-4-6-21(18)28-25-20-9-10-27-24(20)30-26(31-25)29-22-8-7-19(16-23(22)34-2)32-11-13-35-14-12-32/h5-6,9-12,19-20,35H,2-4,7-8,13-18H2,1H3,(H3,30,31,32,33,34);4-5,8-11,18-19,34H,2-3,6-7,12-17H2,1H3,(H3,29,30,31,32,33);2-3,7-10,17-18,33H,4-6,11-16H2,1H3,(H3,28,29,30,31,32);4-9,17,28H,3,10-16H2,1-2H3,(H3,27,29,30,31,32);3-8,16H,9-15H2,1-2H3,(H3,27,28,29,30,31)
• InChIKey: AECQKUSUDIAGMZ-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 619.60 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 45
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2711.33
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (CID 157086200) is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

What is the SMILES notation for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The canonical SMILES for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CC(C)=O)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)CCN2.

What is the InChIKey of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The InChIKey is AECQKUSUDIAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4S.C28H35N7O4S.C27H33N7O4S.C26H33N7O4S.C26H30N6O3/c1-39-25-19-21(36-15-17-40-18-16-36)11-12-23(25)32-29-33-27-22(13-14-30-27)28(34-29)31-24-9-5-6-10-26(24)41(37,38)35-20-7-3-2-4-8-20;1-38-24-18-20(35-14-16-39-17-15-35)10-11-22(24)31-28-32-26-21(12-13-29-26)27(33-28)30-23-8-4-5-9-25(23)40(36,37)34-19-6-2-3-7-19;1-37-23-17-19(34-13-15-38-16-14-34)9-10-21(23)30-27-31-25-20(11-12-28-25)26(32-27)29-22-7-2-3-8-24(22)39(35,36)33-18-5-4-6-18;1-3-11-28-38(34,35)23-7-5-4-6-21(23)29-25-19-10-12-27-24(19)31-26(32-25)30-20-9-8-18(17-22(20)36-2)33-13-15-37-16-14-33;1-17(33)15-18-5-3-4-6-21(18)28-25-20-9-10-27-24(20)30-26(31-25)29-22-8-7-19(16-23(22)34-2)32-11-13-35-14-12-32/h5-6,9-12,19-20,35H,2-4,7-8,13-18H2,1H3,(H3,30,31,32,33,34);4-5,8-11,18-19,34H,2-3,6-7,12-17H2,1H3,(H3,29,30,31,32,33);2-3,7-10,17-18,33H,4-6,11-16H2,1H3,(H3,28,29,30,31,32);4-9,17,28H,3,10-16H2,1-2H3,(H3,27,29,30,31,32);3-8,16H,9-15H2,1-2H3,(H3,27,28,29,30,31).

What are the key properties of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide has a molecular weight of 2711.33 g/mol, XLogP of 19.37, 45 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 157086200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).